N-[1-(3-chloro-4-fluorophenyl)ethyl]quinolin-6-amine

C17H14ClFN2 — CID 62636651

IUPACN-[1-(3-chloro-4-fluorophenyl)ethyl]quinolin-6-amine
SMILESCC(Nc1ccc2ncccc2c1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C17H14ClFN2/c1-11(12-4-6-16(19)15(18)10-12)21-14-5-7-17-13(9-14)3-2-8-20-17/h2-11,21H,1H3
InChIKeyLQEGVESOJAOIKN-UHFFFAOYSA-N
MW300.76 g/mol
LogP5.20
Rot. Bonds3

About N-[1-(3-chloro-4-fluorophenyl)ethyl]quinolin-6-amine

N-[1-(3-chloro-4-fluorophenyl)ethyl]quinolin-6-amine (PubChem CID 62636651) has the molecular formula C17H14ClFN2 and a molecular weight of 300.76 g/mol. Its IUPAC name is N-[1-(3-chloro-4-fluorophenyl)ethyl]quinolin-6-amine.

Molecular Properties

Compound NameN-[1-(3-chloro-4-fluorophenyl)ethyl]quinolin-6-amine
PubChem CID62636651
Molecular FormulaC17H14ClFN2
Molecular Weight300.76 g/mol
Exact Mass300.08
IUPAC NameN-[1-(3-chloro-4-fluorophenyl)ethyl]quinolin-6-amine
SMILESCC(Nc1ccc2ncccc2c1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C17H14ClFN2/c1-11(12-4-6-16(19)15(18)10-12)21-14-5-7-17-13(9-14)3-2-8-20-17/h2-11,21H,1H3
InChIKeyLQEGVESOJAOIKN-UHFFFAOYSA-N
XLogP5.20
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.76
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3,4-difluorophenyl)ethyl]quinolin-6-amine
CID 62634409
N-[1-(2,5-difluorophenyl)ethyl]quinolin-6-amine
CID 62634757
N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-methyl-3H-benzimidazol-5-amine
CID 43746343
3-chloro-4-fluoro-N-(1-pyridin-2-ylethyl)aniline
CID 43119234
N-[1-(3-chloro-4-fluorophenyl)ethyl]-3,4-dimethoxyaniline
CID 43108298
3-chloro-N-[1-(3-chloro-4-fluorophenyl)ethyl]-4-methoxyaniline
CID 43100313
5-[1-(3-chloro-4-fluorophenyl)ethylamino]-2-methylphenol
CID 107700001
N-[1-(3-chloro-4-fluorophenyl)ethyl]-4-ethylaniline
CID 43102207
N-[1-(1H-pyrazol-5-yl)ethyl]quinolin-6-amine
CID 55097402
N-[1-(1,3-thiazol-4-yl)ethyl]quinolin-6-amine
CID 115928696
N-[1-(3-chloro-4-fluorophenyl)ethyl]-6-methylsulfonylpyridin-3-amine
CID 43675151
5-[1-(3-chloro-4-fluoroanilino)ethyl]benzene-1,3-diol
CID 107705381

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chloro-4-fluorophenyl)ethyl]quinolin-6-amine?
The IUPAC name of N-[1-(3-chloro-4-fluorophenyl)ethyl]quinolin-6-amine (CID 62636651) is N-[1-(3-chloro-4-fluorophenyl)ethyl]quinolin-6-amine.
What is the SMILES notation for N-[1-(3-chloro-4-fluorophenyl)ethyl]quinolin-6-amine?
The canonical SMILES for N-[1-(3-chloro-4-fluorophenyl)ethyl]quinolin-6-amine is CC(Nc1ccc2ncccc2c1)c1ccc(F)c(Cl)c1.
What is the InChIKey of N-[1-(3-chloro-4-fluorophenyl)ethyl]quinolin-6-amine?
The InChIKey is LQEGVESOJAOIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2/c1-11(12-4-6-16(19)15(18)10-12)21-14-5-7-17-13(9-14)3-2-8-20-17/h2-11,21H,1H3.
What are the key properties of N-[1-(3-chloro-4-fluorophenyl)ethyl]quinolin-6-amine?
N-[1-(3-chloro-4-fluorophenyl)ethyl]quinolin-6-amine has a molecular weight of 300.76 g/mol, XLogP of 5.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chloro-4-fluorophenyl)ethyl]quinolin-6-amine is sourced from PubChem (CID 62636651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).